Electronic, spectroscopic and elastic properties of early transition metal compounds

Pollini, I.; Mosser, A.; Parlebas, J.C.

doi:10.1016/s0370-1573(01)00018-7

Cited by 74 publications

(40 citation statements)

References 103 publications

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“…The electronic structure of crystalline materials has been studied in detail by density functional calculations [1], and by a variety of experimental probes. Especially, electron and X-ray spectroscopic methods have led to great advances in understanding the electronic structure of a large variety of elements and compounds [2,3]. However, computations for amorphous and disordered structures are demanding and at present limited to small clusters [4].…”

Section: Introductionmentioning

confidence: 99%

Determination of electronic structure by impedance spectroscopy

Niklasson

Malmgren

Green

et al. 2010

Journal of Non-Crystalline Solids

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We present a novel method, based on electrochemical intercalation and impedance spectroscopy, to determine the electronic density of states of disordered transition metal oxides. Specifically, we have determined the "electrochemical density of states" of tungsten and iridium oxide thin films over energy ranges as wide as 1 to 2 eV. Our experimental results show a number of qualitative features exhibited by state-of-the-art band structure computations. Differences in details are probably due to the disordered, porous and sometimes amorphous nature of our films. The results suggest that the impedance spectroscopy method can be used to obtain the density of states only if the conduction band states are localized. The electrochemical density of states is often smaller than the computed one due to kinetic effects, i.e. very slow relaxations of the charge carriers. Nevertheless, our sensitive method opens new vistas for studying the electronic structure of disordered materials.

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Section: Introductionmentioning

confidence: 99%

Determination of electronic structure by impedance spectroscopy

Niklasson

Malmgren

Green

et al. 2010

Journal of Non-Crystalline Solids

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“…• C, a Knoop hardness of 2000 kg/mm 2 [4] and a superconducting transition temperature of ∼10 K. The material has attracted much interest, but good understanding has been elusive because, as in other transition metal carbides and nitrides [5][6][7][8][9][10][11][12], TaC exists over a wide range of compositions outside stoichiometry and its physical properties vary as a consequence. Mechanical, thermal, electrical and optical properties have been investigated from both theoretical and experimental points of view [13][14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and optical properties of TaC from the first principles calculation

et al. 2005

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Abstract. The electronic and optical properties of tantalum carbide TaC have been calculated using the full-potential linearized augmented-plane-wave method within the local density approximation scheme for the exchange-correlation potential. We find that the optical spectra can be extremely sensitive to the Brillouin zone sampling. The influence of relativistic effects on the dielectric function is investigated. It is shown that the scalar-relativistic correction is much more important than spin-orbit coupling. Our results are found to be in good agreement with the available experimental data. The determinant role of a band structure computation with respect to the analysis of optical properties is discussed. PACS

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“…In order to understand the variety of interesting phenomena of doped Mott insulators [1,2], it is necessary to reveal how the electrons behave as a function of carrier concentration [3]. High-T c superconductivity in the cuprates is one of the most spectacular examples of doped Mott insulators in which superconductivity [4] emerges from an unconventional normal state.…”

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confidence: 99%

Crossover from coherent quasiparticles to incoherent hole carriers in underdoped cuprates

et al. 2009

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In underdoped cuprates, only a portion of the Fermi surface survives as Fermi arcs due to pseudogap opening. In hole-doped La2CuO4, we have deduced the "coherence temperature" T coh of quasi-particles on the Fermi arc above which the broadened leading edge position in angle-integrated photoemission spectra is shifted away from the Fermi level and the quasi-particle concept starts to lose its meaning. T coh is found to rapidly increase with hole doping, an opposite behavior to the pseudogap temperature T * . The superconducting dome is thus located below both T * and T coh , indicating that the superconductivity emerges out of the coherent Fermionic quasi-particles on the Fermi arc. T coh remains small in the underdoped region, indicating that incoherent charge carriers originating from the Fermi arc are responsible for the apparently metallic transport at high temperatures.

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Electronic, spectroscopic and elastic properties of early transition metal compounds

Cited by 74 publications

References 103 publications

Determination of electronic structure by impedance spectroscopy

Determination of electronic structure by impedance spectroscopy

Electronic structure and optical properties of TaC from the first principles calculation

Crossover from coherent quasiparticles to incoherent hole carriers in underdoped cuprates

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